methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate

C12H20N2O3 — CID 112732527

IUPACmethyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H20N2O3/c1-17-11(15)10-5-8-14(9-10)12(16)13-6-3-2-4-7-13/h10H,2-9H2,1H3
InChIKeyJOUHULUSWWNFQE-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.09
Rot. Bonds1

About methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 112732527) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
PubChem CID112732527
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H20N2O3/c1-17-11(15)10-5-8-14(9-10)12(16)13-6-3-2-4-7-13/h10H,2-9H2,1H3
InChIKeyJOUHULUSWWNFQE-UHFFFAOYSA-N
XLogP1.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate
CID 79162947
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071779
1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115535303
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 115535285
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
CID 103430283
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477

Frequently Asked Questions

What is the IUPAC name of methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate (CID 112732527) is methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)N2CCCCC2)C1.
What is the InChIKey of methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is JOUHULUSWWNFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-11(15)10-5-8-14(9-10)12(16)13-6-3-2-4-7-13/h10H,2-9H2,1H3.
What are the key properties of methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 112732527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).